Acetic acid,2-[(aminoiminomethyl)thio]- supplier

Name
(AMIDINOTHIO)ACETIC ACID
EINECS 231-010-5
CAS No. 7404-50-4
Article Data9
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point ~234 °C (dec.)
Formula C₃H₆N₂O₂S
Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 134.159
Flash Point 140 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms Aceticacid, (amidinothio)- (6CI,7CI,8CI);Acetic acid, [(aminoiminomethyl)thio]-(9CI);NSC 403734;S-(Carboxymethyl)isothiourea;S-(Formamidinothio)acetic acid;(carbamimidoylsulfanyl)acetic acid;Acetic acid, 2-[(aminoiminomethyl)thio]-;2-carbamimidoylsulfanylacetic acid;
PSA 112.47000
LogP 0.49770

Acetic acid,2-[(aminoiminomethyl)thio]- Specification

The Acetic acid,2-[(aminoiminomethyl)thio]-, with the CAS registry number 7404-50-4 and EINECS registry number 231-010-5, has the systematic name of (carbamimidoylsulfanyl)acetic acid. It is also called 2-carbamimidoylsulfanylacetic acid. And the molecular formula of the chemical is C₃H₆N₂O₂S.

The characteristics of Acetic acid,2-[(aminoiminomethyl)thio]- are as followings: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.13; (4)ACD/LogD (pH 7.4): -3.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.2 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 29.71 cm³; (15)Molar Volume: 83.1 cm³; (16)Polarizability: 11.77×10^-24cm³; (17)Surface Tension: 75.8 dyne/cm; (18)Density: 1.61 g/cm³; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 60.33 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000158 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it is also harmful if swallowed. What's more, there's risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CSC(=[N@H])N
(2)InChI: InChI=1/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)
(3)InChIKey: BWUNQEXPLIAUOU-UHFFFAOYAK

Product Name

(AMIDINOTHIO)ACETIC ACID

Acetic acid,2-[(aminoiminomethyl)thio]- Specification

Related Products

Hot Products