CAS 1158098-73-7 2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide (HCID 46839995)

기본 정보

CAS: 1158098-73-7
표준 SMILES: CC(C)(C)S(=O)N=C1COC1
InChIKey: VKUZMNXQGKBLHN-UHFFFAOYSA-N
분자식: C7H13NO2S
평균 분자량: 175.25 g/mol
단동위원소 질량: 175.06669983

이름 및 식별자

우선 이름: 2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide
IUPAC: 2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide
현지명: 2-메틸-N-(옥세탄-3-일리드…
영어명: 2-Propanesulfinamide, 2-methyl-N-3-oxetanylidene-
분자식: C7H13NO2S
분자량: 175.25

이름 및 동의어

2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide1158098-73-7DTXSID20676706RefChem:263715DTXCID20627455MFCD147025222-PROPANESULFINAMIDE, 2-METHYL-N-3-OXETANYLIDENE-2-methyl-N-(3-oxetanylidene)-2-propanesulfinamide(S)-2-Methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide3-[(tert-Butylsulfinyl)imino]oxetan2-METHYL-N-(OXETAN-3-YLIDENE)PROPANE-2-SULFINAMIDE 2-METHYLPROPANE-2-SULFINIC ACID OXETAN-3-YLIDENEAMIDESCHEMBL1515549

이름 더 보기

2-메틸-N-(옥세탄-3-일리드…2-Methyl-N-(oxetan-3-ylid…2-Methyl-N-(oxetan-3-ylidene)3-(tert-butylsulfinylmethylene)oxetane2-Methyl-n-(oxetan-3-yl)propane-2-sulfinaMide3- [(tert butylsulfonyl) imino] oxocyclobutane

SCHEMBL24495732-methyl-propane-2-sulfinic acid oxetan-3-ylideneamideSCHEMBL147788692-METHYL-N-(3-OXETANYLIDENE)PROPANE-2-SULFINAMIDEVKUZMNXQGKBLHN-UHFFFAOYSA-N3-[(tert-butylsulfinyl)imino]oxetaneAKOS006345924CS-W009188

데이터베이스 식별자

CAS: 1158098-73-7
PubChem CID: 46839995
DTXSID: DTXSID20676706
Nikkaji: J2.819.835C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 199

물리화학적 성질

끓는 점: 302.8 · 302.8±52.0 °C(Predicted)
밀도: 1.25 · 1.25
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.5 · -0.50±0.20(Predicted)
수용성: 물에 용해됩니다. (1.00E+06mg/L).
InChI: InChI=1S/C7H13NO2S/c1-7(2,3)11(9)8-6-4-10-5-6/h4-5H2,1-3H3
InChIKey: VKUZMNXQGKBLHN-UHFFFAOYSA-N
SMILES: CC(C)(S(/N=C1\COC\1)=O)C

안전 및 규제

안전 데이터

tsca: No
HS 번호: 2932990090
risk_code: 36/37/38
hazard_code: F,C
safety_code: 26-37-60

화학 및 산업

응용 분야

용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

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